Geometry & MOs

Info

ID:

111932

PubChem CID:

50387234

Reduced:

ClO4N5C33H42 (1)

Stoich.:

AB4C5D33E42 (1)

Weight, g/mol:

710.379183

ΔHf, kcal/mol:

-175.36

Dipole, Da:

7.9

IP(EA), eV:

 -8.77(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(2-methoxybenzoyl)amino]anilino]-3-oxopropyl]-1-[1-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)N4CCCCC4)C(=O)NC5CCCC5

DOS

IR

Vibrations